Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -5.2534    0.7017   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3650   -0.1875    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454   -0.0026    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642    1.0457   -0.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -0.8998    0.4448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -0.7001    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048   -1.1364   -0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -0.9080   -1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157   -0.2316   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548    0.1990    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1134   -0.0214    1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184   -0.0074   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.4261   -1.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765    0.7114    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3019    0.5392    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9280    1.6078   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7017   -1.0657    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040   -1.6759   -1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766   -1.2859   -2.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    0.7278    1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3902    0.3319    2.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    1.4895    1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2391    1.1701   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8152    0.0243    1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers